SCHEMBL7705084

SCHEMBL7705084

CCC(Cc1cc(C)c(OCc2ccccc2)c(C)c1)(C(=O)O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 4/20 0.43
PTPRB P23467 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPRA P18433 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2086545 0.78 FFAR4 (0.45) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL2086547 0.78 FFAR4 (0.45) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL7975332 0.75 PTPN1 (0.64) PTPN1PTPRBPTPN2PTPRASMN1; SMN2
SCHEMBL27385611 0.74 PTPN1 (0.56) PTPN1PTPRBPTPN2PTPRAMEN1
SCHEMBL2086116 0.73 PTGER4 (0.43) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL2086118 0.73 PTGER4 (0.43) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL17460412 0.73 ALDH1A1 (0.56) LMNAPTPN1PTPRBPTPN2PTPRA
SCHEMBL6081447 0.73 FFAR4 (0.54) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL2088361 0.72 FFAR4 (0.43) LMNAHPGDPTPN1MEN1KMT2A
SCHEMBL2088362 0.72 FFAR4 (0.43) LMNAHPGDPTPN1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed